Crystallography Open Database

Information card for entry 7709314

Preview

Coordinates	7709314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 B3 F6 N8
Calculated formula	C22 H21 B3 F6 N8
Title of publication	Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.
Authors of publication	Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	8
Pages of publication	3051 - 3059
a	21.593 ± 0.013 Å
b	17.946 ± 0.012 Å
c	15.446 ± 0.01 Å
α	90°
β	112.98 ± 0.03°
γ	90°
Cell volume	5510 ± 6 Å³
Cell temperature	199 ± 2 K
Ambient diffraction temperature	199 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1521
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273363 (current)	2022-03-05	cif/ Updating files of 7709314, 7709315, 7709316, 7709317 Original log message: Adding full bibliography for 7709314--7709317.cif.	7709314.cif
272116	2022-01-19	cif/ Adding structures of 7709314, 7709315, 7709316, 7709317 via cif-deposit CGI script.	7709314.cif